SCHEMBL7351471

SCHEMBL7351471

CC(OC(=O)c1n[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.62
▸ STAT3 P40763 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ GABRA1 P14867 1/20 0.53
▸ GABRG2 P18507 1/20 0.53
▸ GABRB3 P28472 1/20 0.53
▸ GABRA5 P31644 1/20 0.53
▸ GABRA3 P34903 1/20 0.53
▸ GABRA2 P47869 1/20 0.53
▸ GABRA4 P48169 1/20 0.53
▸ GABRA6 Q16445 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HTT P42858 3/20 0.52
▸ YTHDC1 Q96MU7 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7349349 0.83 KDM4E (0.66) KDM4ESTAT3HIF1AALDH1A1NPC1
SCHEMBL22284877 0.81 KDM4E (0.62) KDM4ESTAT3HIF1AALDH1A1NPC1
SCHEMBL7348325 0.78 KDM4E (0.56) KDM4ESTAT3HIF1AALDH1A1NPC1
SCHEMBL7982729 0.78 KDM4E (0.56) KDM4ESTAT3HIF1AALDH1A1HSD17B10
SCHEMBL29805260 0.77 KDM4E (1.00) KDM4ESTAT3HIF1AALDH1A1NPC1
SCHEMBL498053 0.77 KDM4E (1.00) KDM4ESTAT3HIF1AALDH1A1NPC1
SCHEMBL928139 0.76 KDM4E (0.72) KDM4ESTAT3HIF1AALDH1A1TP53
SCHEMBL6530251 0.75 NPC1 (0.68) KDM4ESTAT3HIF1AALDH1A1NPC1
SCHEMBL25380488 0.74 KDM4E (0.71) KDM4ESTAT3HIF1AALDH1A1NPC1
SCHEMBL11485891 0.74 KDM4E (0.71) KDM4ESTAT3HIF1AALDH1A1TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6214834-B1 ANGIOGENESIS INHIBITORS; ANTIINFLAMMATORY AGENTS; ANTICANCER AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-04-10 — — US disclosed
WO-1998043962-A1 HETEROCYCLIC INTEGRIN INHIBITOR PRODRUGS DU PONT PHARMACEUTICALS COMPANY (US) 1998-10-08 — — WO disclosed
US-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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